Publications

3499 results for Materials Discovery

A Recommender System for Inverse Design of Polycarbonates and Polyesters
- - Nathaniel H. Park
  - Dmitry Yu. Zubarev
  - et al.
- 2020
- Macromolecules
Flexible, Synergistic Ceramic-Polymer Hybrid Solid-State Electrolyte for Secondary Lithium Metal Batteries
- - Amaresh Samuthira Pandian
  - Phillip A. Medina
  - et al.
- 2020
- ACS Applied Energy Materials
Automatic Cyclometalated Iridium(III) Complex Design Using a Data-Driven Fragmentation Representation of Molecules
- - Hsianghan Hsu
  - Seiji Takeda
  - et al.
- 2020
- MRS Fall Meeting 2020
Platform for Polymer Inverse-Design by Graph Generative Algorithms
- - Seiji Takeda
  - Toshiyuki Hama
  - et al.
- 2020
- MRS Fall Meeting 2020
Active learning of deep surrogates for PDEs: application to metasurface design
- - Raphaël Pestourie
  - Youssef Mroueh
  - et al.
- 2020
- npj Computational Materials
Expert-in-the-loop AI for Polymer Discovery
- - Petar Ristoski
  - Dmitry Yu. Zubarev
  - et al.
- 2020
- CIKM 2020
Realizing a composable enterprise microservices fabric with ai-accelerated material discovery api services
- - Rong Chang
  - Kumar Bhaskaran
  - et al.
- 2020
- CLOUD 2020
A model for the simulation of the CnEm nonionic surfactant family derived from recent experimental results
- - Michael Johnston
  - Andrew Ian Duff
  - et al.
- 2020
- Journal of Physical Chemistry B
Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
- - Giorgio Pesciullesi
  - Philippe Schwaller
  - et al.
- 2020
- Nature Communications
Molecular Inverse-Design Platform for Material Industries
- - Seiji Takeda
  - Toshiyuki Hama
  - et al.
- 2020
- KDD 2020